methyl 3-[(3-ethanoylphenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(3-ethanoylphenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3-acetylphenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3-acetylphenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(3-acetylphenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H18N2O3S/c1-11-7-8-14(17(22)23-3)10-16(11)20-18(24)19-15-6-4-5-13(9-15)12(2)21/h4-10H,1-3H3,(H2,19,20,24)